ChemSpider 2D Image | (4S,5S)-4,5-Dihydroxy-1,3-dioxolane-2-carboxylic acid | C4H6O6

(4S,5S)-4,5-Dihydroxy-1,3-dioxolane-2-carboxylic acid

  • Molecular FormulaC4H6O6
  • Average mass150.087 Da
  • Monoisotopic mass150.016434 Da
  • ChemSpider ID24191366
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S,5S)-4,5-Dihydroxy-1,3-dioxolan-2-carbonsäure [German] [ACD/IUPAC Name]
(4S,5S)-4,5-Dihydroxy-1,3-dioxolane-2-carboxylic acid [ACD/IUPAC Name]
1,3-Dioxolane-2-carboxylic acid, 4,5-dihydroxy-, (4S,5S)- [ACD/Index Name]
Acide (4S,5S)-4,5-dihydroxy-1,3-dioxolane-2-carboxylique [French] [ACD/IUPAC Name]
1,3-Dioxolane-2-carboxylic acid, 4,5-dihydroxy-, (2α,4α,5β)- (9CI)
98480-38-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 433.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±6.0 kJ/mol
Flash Point: 197.1±22.2 °C
Index of Refraction: 1.600
Molar Refractivity: 26.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 113.3±3.0 dyne/cm
Molar Volume: 77.0±3.0 cm3

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